Products Categories
CAS No.: | 7561-25-3 |
---|---|
Name: | H-PRO-GLY-GLY-OH |
Molecular Structure: | |
Formula: | C9H15N3O4 |
Molecular Weight: | 229.236 |
Synonyms: | H-Pro-Gly-Gly-OH;Glycine,N-(N-L-prolylglycyl)- (7CI,8CI);L-Prolylglycylglycine;NSC 97937; |
Density: | 1.31 g/cm3 |
Boiling Point: | 644 °C at 760 mmHg |
Flash Point: | 343.3 °C |
PSA: | 107.53000 |
LogP: | -0.83400 |
The Glycine,L-prolylglycyl-, with the CAS registry number 7561-25-3, has the systematic name of L-prolylglycylglycine. It is also called 2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]acetic acid. And the molecular formula of the chemical is C9H15N3O4. What's more, it should be stored at -15°C.
The characteristics of Glycine,L-prolylglycyl- are as followings: (1)ACD/LogP: -1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.22; (4)ACD/LogD (pH 7.4): -4.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 70.16 ?2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 53.68 cm3; (15)Molar Volume: 174.8 cm3; (16)Polarizability: 21.28 10-24cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 343.3 °C; (20)Enthalpy of Vaporization: 103.66 kJ/mol; (21)Boiling Point: 644 °C at 760 mmHg; (22)Vapour Pressure: 3.03E-18 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(NCC(=O)NCC(=O)O)[C@H]1NCCC1
(2)InChI: InChI=1/C9H15N3O4/c13-7(11-5-8(14)15)4-12-9(16)6-2-1-3-10-6/h6,10H,1-5H2,(H,11,13)(H,12,16)(H,14,15)/t6-/m0/s1
(3)InChIKey: HAAQQNHQZBOWFO-LURJTMIEBA